SCHEMBL14213299

SCHEMBL14213299

CCC(C)c1nc(C(C)(C)C)no1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 1/20 0.33
IDH1 O75874 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2605502 0.79 HTT (0.38) PIK3CGIDH1
SCHEMBL9449998 0.76 PIK3CG (0.34) PIK3CGIDH1
SCHEMBL10147793 0.76 PIK3CG (0.34) PIK3CGIDH1
SCHEMBL20049385 0.76 PIK3CG (0.34) PIK3CGIDH1
SCHEMBL5388110 0.75 PIK3CG (0.33) PIK3CG
SCHEMBL5388859 0.75 PIK3CG (0.33) PIK3CG
SCHEMBL5388113 0.75 PIK3CG (0.33) PIK3CG
SCHEMBL21180509 0.74 PIK3CG (0.35) PIK3CGIDH1
SCHEMBL15931976 0.74 GPR119 (0.35)
SCHEMBL469194 0.74 MAPT (0.32)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3684357-B1 HETEROARYL ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS MERCK SHARP & DOHME LLC (US) 2022-12-28 EP disclosed
US-20120309750-A1 5-MEMBERED HETEROCYCLE DERIVATIVES AND MANUFACTURING PROCESS THEREOF ILDONG PHARM CO., LTD. (KR) 2012-12-06 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120309750-A1 5-MEMBERED HETEROCYCLE DERIVATIVES AND MANUFACTURING PROCESS THEREOF CYP3A5, UGT2B7, UGT1A7 PIK3CG 1194/4885IDH1 63/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.